import kuai
import kuai.fftypes;
import os

pin, pout, perr = os.popen3(r"F:\Madlee\Job\Direct Force Field\7\bin32w\dffjob.exe")
mol = kuai.read_mol(r"F:/Madlee/Job/TEAM/MayBridge/drug.msd")
mol = kuai.fftypes.assign_struct_types(mol)
write_mol("xxx.msd", mol)
